N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

C17H20N4S — CID 28850740

IUPACN'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2c(C)sc3ncnc(NCCN)c23)cc1C
InChIInChI=1S/C17H20N4S/c1-10-4-5-13(8-11(10)2)14-12(3)22-17-15(14)16(19-7-6-18)20-9-21-17/h4-5,8-9H,6-7,18H2,1-3H3,(H,19,20,21)
InChIKeyCNRWLMSOZGVBCN-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.65
Rot. Bonds4

About N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine

N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 28850740) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID28850740
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC NameN'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
SMILESCc1ccc(-c2c(C)sc3ncnc(NCCN)c23)cc1C
InChIInChI=1S/C17H20N4S/c1-10-4-5-13(8-11(10)2)14-12(3)22-17-15(14)16(19-7-6-18)20-9-21-17/h4-5,8-9H,6-7,18H2,1-3H3,(H,19,20,21)
InChIKeyCNRWLMSOZGVBCN-UHFFFAOYSA-N
XLogP3.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid
CID 28842493
4-N-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28850735
N-(2,3-dimethylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009603
N-(3-chloro-4-methylphenyl)-5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011540
5-(3,4-dimethylphenyl)-N-(2-ethyl-6-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695543
5-(3,4-dimethylphenyl)-6-methyl-N-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505317
propyl 4-[[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]benzoate
CID 21009569
3-[[6-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 28852711
5-(3,4-dimethylphenyl)-6-methyl-N-(4-pyrrolidin-1-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012118
2-[2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]ethoxy]ethanol
CID 28850591
N-(3,4-dimethylphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009720
N-(2,5-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009656

Frequently Asked Questions

What is the IUPAC name of N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine (CID 28850740) is N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine is Cc1ccc(-c2c(C)sc3ncnc(NCCN)c23)cc1C.
What is the InChIKey of N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is CNRWLMSOZGVBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-10-4-5-13(8-11(10)2)14-12(3)22-17-15(14)16(19-7-6-18)20-9-21-17/h4-5,8-9H,6-7,18H2,1-3H3,(H,19,20,21).
What are the key properties of N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine?
N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 312.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(3,4-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 28850740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).